SCHEMBL5750856

SCHEMBL5750856

CC1(C)CCC2OC(=O)c3cccc(c32)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
PRNP P04156 2/20 0.33
PPARG P37231 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
NCOR2 Q9Y618 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CES1 P23141 2/20 0.31
NR2E3 Q9Y5X4 1/20 0.31
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7269283 0.72 HTR3B (0.39) LMNAPTGS2PTGS1SMN1; SMN2CES1
SCHEMBL5753754 0.71 CYP2A6 (0.41) LMNAPTGS2PTGS1SMN1; SMN2CES1
SCHEMBL14628675 0.64 CYP1A2 (0.37) LMNAKDM4EGAAPOLB
SCHEMBL5750929 0.63 CYP2A6 (0.50) LMNAPRNPPPARGRXFP1NCOR2
SCHEMBL5753654 0.63 SLC6A2 (0.34)
SCHEMBL5353546 0.59 LMNA (0.51) LMNAKDM4ESMN1; SMN2CES1POLB
SCHEMBL5753005 0.59 MAPT (0.44) KDM4ESMN1; SMN2
SCHEMBL9419047 0.59 CYP2A6 (0.50) LMNASMN1; SMN2CES1POLB
SCHEMBL21447596 0.58 HTR2A (0.38) KDM4E
SCHEMBL597727 0.56 ADRA2A (0.43) CES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP LMNA 2989/4885PRNP 4651/4885PPARG 905/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.